methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-methyl-5-[(2-methylanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylic acid methyl ester Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C22H18ClN3O6S/c1-11-6-4-5-7-15(11)24-20(28)18-12(2)17(22(29)32-3)21(33-18)25-19(27)13-8-9-14(23)16(10-13)26(30)31/h4-10H,1-3H3,(H,24,28)(H,25,27)